4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate
TL;DR: 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate (CAS 21877-96-3) is a chemical compound with molecular formula C21H25FN6O7S2 and molecular weight 556.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl]carbamoylamino]benzenesulfonyl fluoride;sulfuric acid
Also Known As: 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate, 4-[({4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl}carbamoyl)amino]benzenesulfonyl fluoride sulfate(1:1), 4-[[4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl]carbamoylamino]benzenesulfonyl fluoride,sulfuric acid, 4-[[4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl]carbamoylamino]benzenesulfonyl fluoride; sulfuric acid, Sulfuric acid--4-[({4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C21H25FN6O7S2 |
|---|---|
| Molecular Weight | 556.12 g/mol |
| LogP | 2.8558 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 556.12103 |
| Heavy Atoms | 37 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 21877-96-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CCCCC2=CN=C(N=C2N)N)NC(=O)NC3=CC=C(C=C3)S(=O)(=O)F.OS(=O)(=O)O |
| InChIKey | NZPLJUMSSCIIOK-UHFFFAOYSA-N |
Product Overview
4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate (CAS 21877-96-3), with molecular formula C21H25FN6O7S2 and molecular weight 556.12 g/mol. IUPAC: 4-[[4-[4-(2,4-diaminopyrimidin-5-yl)butyl]phenyl]carbamoylamino]benzenesulfonyl fluoride;sulfuric acid.
Chemical Property Profile of 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate
Property Insights of 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate
The XLogP value of 2.8558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate. The TPSA of 244.0 Ų indicates high polarity, suggesting 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate?
The CAS number of 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate is 21877-96-3.
What is the molecular formula of 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate?
The molecular formula of 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate is C21H25FN6O7S2.
What is the molecular weight of 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate?
The molecular weight of 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate is 556.12 g/mol.
Where can I buy 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate?
You can request a quote for 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(4-(4-(2,4-Diaminopyrimidin-5-yl)butyl)phenyl)ureido)benzene-1-sulfonyl fluoride sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.